SCHEMBL1538041

SCHEMBL1538041

O=C(CCC(F)(F)F)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.55
L3MBTL1 Q9Y468 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
CES2 O00748 1/20 0.48
AKR1B1 P15121 1/20 0.48
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
VNN1 O95497 1/20 0.42
FAAH O00519 3/20 0.42
NPC1 O15118 1/20 0.42
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
HSD11B1 P28845 1/20 0.41
KEAP1 Q14145 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.40
CTBP2 P56545 1/20 0.40
EPHX2 P34913 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1538025 0.89 CES1 (0.52) CES1L3MBTL1TDP1CES2AKR1B1
SCHEMBL7135889 0.86 MMP2 (0.51) CES1L3MBTL1TDP1CES2AKR1B1
SCHEMBL7405858 0.83 KEAP1 (0.53) CES1L3MBTL1TDP1HDAC8HDAC6
SCHEMBL28194343 0.82 L3MBTL1 (0.55) CES1L3MBTL1TDP1CES2AKR1B1
SCHEMBL8619264 0.81 CES1 (0.64) CES1L3MBTL1TDP1CES2AKR1B1
SCHEMBL26287745 0.81 TDP1 (0.54) CES1L3MBTL1TDP1CES2AKR1B1
SCHEMBL1033376 0.80 CES1 (0.59) CES1L3MBTL1TDP1CES2AKR1B1
SCHEMBL2739376 0.78 TDP1 (0.51) CES1L3MBTL1TDP1CES2AKR1B1
SCHEMBL3168036 0.76 CTBP2 (0.51) MEN1KMT2AHDAC6VNN1ALDH1A1
SCHEMBL77563 0.76 CES1 (0.70) CES1L3MBTL1TDP1CES2AKR1B1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966146-B1 4,5-DIHYDRO- (1H)-PYRAZOLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR MODULATORS ABBOTT HEALTHCARE PRODUCTS BV (NL) 2011-03-02 EP disclosed
EP-1966146-B1 4,5-DIHYDRO- (1H)-PYRAZOLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR MODULATORS ABBOTT HEALTHCARE PRODUCTS BV (NL) 2011-03-02 EP disclosed
EP-1966146-A1 4,5-DIHYDRO- (1H)-PYRAZOLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR MODULATORS Solvay Pharmaceuticals B.V. (NL) 2008-09-10 EP disclosed
WO-2007071662-A1 4,5-DIHYDRO- (1H)-PYRAZOLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR MODULATORS SOLVAY PHARMACEUTICALS B.V. (NL) 2007-06-28 WO disclosed
WO-2007071662-A1 4,5-DIHYDRO- (1H)-PYRAZOLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR MODULATORS SOLVAY PHARMACEUTICALS B.V. (NL) 2007-06-28 WO disclosed
US-20070142362-A1 4,5-Dihydro-(1H)-pyrazole derivatives as cannabinoid CB1 receptor modulators SOLVAY PHARMACEUTICALS B.V. 2007-06-21 US disclosed
US-20070142362-A1 4,5-Dihydro-(1H)-pyrazole derivatives as cannabinoid CB1 receptor modulators SOLVAY PHARMACEUTICALS B.V. 2007-06-21 US disclosed
US-20070142362-A1 4,5-Dihydro-(1H)-pyrazole derivatives as cannabinoid CB1 receptor modulators SOLVAY PHARMACEUTICALS B.V. 2007-06-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070142362-A1 4,5-Dihydro-(1H)-pyrazole derivatives as cannabinoid CB1 receptor modulators CNR1, CNR2, GPR55 CES1 1156/4885L3MBTL1 4854/4885TDP1 4528/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.